5-bromo-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide

C11H17BrN2O2S — CID 115596600

IUPAC5-bromo-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide
SMILESCC(C)(C)CCNS(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C11H17BrN2O2S/c1-11(2,3)4-5-14-17(15,16)10-6-9(12)7-13-8-10/h6-8,14H,4-5H2,1-3H3
InChIKeyJRQWMFLQPKOYDW-UHFFFAOYSA-N
MW321.24 g/mol
LogP2.56
Rot. Bonds4

About 5-bromo-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide

5-bromo-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide (PubChem CID 115596600) has the molecular formula C11H17BrN2O2S and a molecular weight of 321.24 g/mol. Its IUPAC name is 5-bromo-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide
PubChem CID115596600
Molecular FormulaC11H17BrN2O2S
Molecular Weight321.24 g/mol
Exact Mass320.02
IUPAC Name5-bromo-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide
SMILESCC(C)(C)CCNS(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C11H17BrN2O2S/c1-11(2,3)4-5-14-17(15,16)10-6-9(12)7-13-8-10/h6-8,14H,4-5H2,1-3H3
InChIKeyJRQWMFLQPKOYDW-UHFFFAOYSA-N
XLogP2.56
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(ethylamino)ethyl]pyridine-3-sulfonamide
CID 62665108
5-bromo-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide
CID 76848572
5-bromo-N-(4-chlorobutyl)pyridine-3-sulfonamide
CID 106846555
5-bromo-N-(6-chlorohexyl)pyridine-3-sulfonamide
CID 107849139
5-bromo-N-(2-pyrrol-1-ylethyl)pyridine-3-sulfonamide
CID 103731692
5-bromo-N-(5-hydroxypentyl)pyridine-3-sulfonamide
CID 107319453
5-bromo-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 65110693
5-bromo-N-(2-methoxyethyl)pyridine-3-sulfonamide;5-bromopyridine-3-sulfonyl chloride
CID 161347039
3-[(5-bromo-3-pyridinyl)sulfonylamino]-N-ethylpropanamide
CID 113411019
5-bromo-N-methylpyridine-3-sulfonamide
CID 46738979
4-[(5-bromo-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid
CID 62043738
5-bromo-N-[3-(2-hydroxyethoxy)propyl]pyridine-3-sulfonamide
CID 113431359

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide (CID 115596600) is 5-bromo-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide is CC(C)(C)CCNS(=O)(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide?
The InChIKey is JRQWMFLQPKOYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S/c1-11(2,3)4-5-14-17(15,16)10-6-9(12)7-13-8-10/h6-8,14H,4-5H2,1-3H3.
What are the key properties of 5-bromo-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide?
5-bromo-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide has a molecular weight of 321.24 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 115596600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).